5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C13H12N2O4 — CID 1491241

IUPAC5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/c2ccco2)C(=O)N(C)C1=O
InChIInChI=1S/C13H12N2O4/c1-14-11(16)10(12(17)15(2)13(14)18)7-3-5-9-6-4-8-19-9/h3-8H,1-2H3/b5-3+
InChIKeyKOPJWTDBEXIJNM-HWKANZROSA-N
MW260.25 g/mol
LogP1.27
Rot. Bonds2

About 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 1491241) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID1491241
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/c2ccco2)C(=O)N(C)C1=O
InChIInChI=1S/C13H12N2O4/c1-14-11(16)10(12(17)15(2)13(14)18)7-3-5-9-6-4-8-19-9/h3-8H,1-2H3/b5-3+
InChIKeyKOPJWTDBEXIJNM-HWKANZROSA-N
XLogP1.27
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 4264941
(3E)-1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enylidene]piperidine-2,4,6-trione;1-ethylpiperidine-2,4,6-trione;(E)-3-(furan-2-yl)prop-2-enal
CID 161216352
(5Z)-1-(4-fluorophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 947009
1-(3,4-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione
CID 883337
5-[(E)-5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)pent-3-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6437666
5-[3-(furan-2-yl)prop-2-enylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 703177
(5Z)-5-(furan-2-ylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 177456796
1-(4-bromophenyl)-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1345620
1-(3-chlorophenyl)-4-[3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione
CID 834881
(5E)-3-butyl-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
CID 19545623
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
CID 126241743
1-(3,4-dichlorophenyl)-4-[3-(furan-2-yl)prop-2-enylidene]pyrazolidine-3,5-dione
CID 888660

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 1491241) is 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=C/C=C/c2ccco2)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is KOPJWTDBEXIJNM-HWKANZROSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-14-11(16)10(12(17)15(2)13(14)18)7-3-5-9-6-4-8-19-9/h3-8H,1-2H3/b5-3+.
What are the key properties of 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 260.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1491241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).